2ERZ
 
 | | Crystal Structure of c-AMP Dependent Kinase (PKA) bound to hydroxyfasudil | | Descriptor: | 1-(1-HYDROXY-5-ISOQUINOLINESULFONYL)HOMOPIPERAZINE, cAMP-dependent protein kinase inhibitor, alpha form, ... | | Authors: | Jacobs, M. | | Deposit date: | 2005-10-25 | | Release date: | 2005-11-08 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The Structure of Dimeric ROCK I Reveals the Mechanism for Ligand Selectivity.
J.Biol.Chem., 281, 2006
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4KE6
 | | Crystal structure D196N mutant of Monoglyceride lipase from Bacillus sp. H257 in complex with 1-rac-lauroyl glycerol | | Descriptor: | (2R)-2,3-dihydroxypropyl dodecanoate, (4S)-2-METHYL-2,4-PENTANEDIOL, Thermostable monoacylglycerol lipase | | Authors: | Rengachari, S, Aschauer, P, Gruber, K, Dreveny, I, Oberer, M. | | Deposit date: | 2013-04-25 | | Release date: | 2013-09-18 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Conformational plasticity and ligand binding of bacterial monoacylglycerol lipase.
J.Biol.Chem., 288, 2013
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2F7P
 | | Golgi alpha-mannosidase II complex with benzyl-mannostatin A | | Descriptor: | (1R,2R,3R,4S,5R)-4-(BENZYLAMINO)-5-(METHYLTHIO)CYCLOPENTANE-1,2,3-TRIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Kuntz, D.A, Rose, D.R. | | Deposit date: | 2005-12-01 | | Release date: | 2006-07-04 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.28 Å) | | Cite: | Structural Basis of the Inhibition of Golgi alpha-Mannosidase II by Mannostatin A and the Role of the Thiomethyl Moiety in Ligand-Protein Interactions.
J.Am.Chem.Soc., 128, 2006
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2F9F
 | | Crystal Structure of the Putative Mannosyl Transferase (wbaZ-1)from Archaeoglobus fulgidus, Northeast Structural Genomics Target GR29A. | | Descriptor: | first mannosyl transferase (wbaZ-1) | | Authors: | Zhou, W, Forouhar, F, Conover, K, Xiao, R, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2005-12-05 | | Release date: | 2006-06-06 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal Structure of the Putative Mannosyl Transferase
(wbaZ-1)from Archaeoglobus fulgidus
To be Published
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4KEP
 | | Crystal structure of 4-pyridoxolactonase, wild-type | | Descriptor: | 1,2-ETHANEDIOL, 4-pyridoxolactonase, ACETATE ION, ... | | Authors: | Kobayashi, J, Yoshikane, Y, Baba, S, Mizutani, K, Takahashi, N, Mikami, B, Yagi, T. | | Deposit date: | 2013-04-26 | | Release date: | 2014-04-09 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Structure of 4-pyridoxolactonase from Mesorhizobium loti.
Acta Crystallogr.,Sect.F, 70, 2014
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3VAF
 | | Structure of U2AF65 variant with BrU3 DNA | | Descriptor: | 1,4-DIETHYLENE DIOXIDE, DNA 5'-D(*UP*UP*(BRU)P*(BRU)P*UP*UP*U)-3', GLYCEROL, ... | | Authors: | Jenkins, J.L, Kielkopf, C.L. | | Deposit date: | 2011-12-29 | | Release date: | 2013-02-13 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.49 Å) | | Cite: | U2AF65 adapts to diverse pre-mRNA splice sites through conformational selection of specific and promiscuous RNA recognition motifs.
Nucleic Acids Res., 41, 2013
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3VAM
 | | Structure of U2AF65 variant with BrU5C2 DNA | | Descriptor: | 1,4-DIETHYLENE DIOXIDE, DNA (5'-D(*UP*CP*UP*UP*(BRU)P*UP*U)-3'), GLYCEROL, ... | | Authors: | Jenkins, J.L, Kielkopf, C.L. | | Deposit date: | 2011-12-29 | | Release date: | 2013-02-13 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | U2AF65 adapts to diverse pre-mRNA splice sites through conformational selection of specific and promiscuous RNA recognition motifs.
Nucleic Acids Res., 41, 2013
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8XH9
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8XGD
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2FEQ
 | | orally active thrombin inhibitors | | Descriptor: | Decapeptide Hirudin Analogue, N-(CARBOXYMETHYL)-3-CYCLOHEXYL-D-ALANYL-N-({4-[(E)-AMINO(IMINO)METHYL]-1,3-THIAZOL-2-YL}METHYL)-L-PROLINAMIDE, Thrombin heavy chain, ... | | Authors: | Mack, H, Baucke, D, Hornberger, W, Lange, U.E.W, Hoeffken, H.W. | | Deposit date: | 2005-12-16 | | Release date: | 2006-08-08 | | Last modified: | 2025-03-26 | | Method: | X-RAY DIFFRACTION (2.44 Å) | | Cite: | Orally active thrombin inhibitors. Part 1: optimization of the P1-moiety
Bioorg.Med.Chem.Lett., 16, 2006
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8XGE
 | | Human Cx36/GJD2 gap junction channel in porcine brain lipids. | | Descriptor: | 1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE, Gap junction delta-2 protein | | Authors: | Cho, H.J, Lee, H.H. | | Deposit date: | 2023-12-15 | | Release date: | 2024-11-06 | | Last modified: | 2025-06-25 | | Method: | ELECTRON MICROSCOPY (2.89 Å) | | Cite: | Mefloquine-induced conformational shift in Cx36 N-terminal helix leading to channel closure mediated by lipid bilayer.
Nat Commun, 15, 2024
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8XGF
 | | Human Cx36/GJD2 gap junction channel in complex with arachidonic acid. | | Descriptor: | 1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE, ARACHIDONIC ACID, Gap junction delta-2 protein | | Authors: | Cho, H.J, Lee, H.H. | | Deposit date: | 2023-12-15 | | Release date: | 2024-11-06 | | Last modified: | 2025-07-02 | | Method: | ELECTRON MICROSCOPY (2.95 Å) | | Cite: | Mefloquine-induced conformational shift in Cx36 N-terminal helix leading to channel closure mediated by lipid bilayer.
Nat Commun, 15, 2024
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2Q3T
 | | Ensemble refinement of the protein crystal structure of gene product from Arabidopsis thaliana At3g22680 | | Descriptor: | 1,2-ETHANEDIOL, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, Protein At3g22680, ... | | Authors: | Levin, E.J, Kondrashov, D.A, Wesenberg, G.E, Phillips Jr, G.N, Center for Eukaryotic Structural Genomics (CESG) | | Deposit date: | 2007-05-30 | | Release date: | 2007-06-19 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Ensemble refinement of protein crystal structures: validation and application.
Structure, 15, 2007
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8XH8
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7KSA
 | | Crystal structure of human CYP3A4 with the caged inhibitor | | Descriptor: | (tert-butyl {1-[(1-oxo-3-phenyl-1-{[3-(pyridin-3-yl-kappaN)prop-1-en-1-yl]amino}propan-2-yl)sulfanyl]-3-phenylpropan-2-yl}carbamate)(6,6'-dimethyl-2,2'-bipyridine-kappa~2~N~1~,N~1'~)(1~2~,2~2~:2~6~,3~2~-terpyridine-kappa~3~N~1^{1~},N~2^{1~},N~3^{1~})ruthenium, Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Sevrioukova, I.S. | | Deposit date: | 2020-11-21 | | Release date: | 2021-06-02 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Photosensitive Ru(II) Complexes as Inhibitors of the Major Human Drug Metabolizing Enzyme CYP3A4.
J.Am.Chem.Soc., 143, 2021
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6PL9
 | | Adduct formed after 1 month in the reaction of dichlorido(1,3-dimethylbenzimidaz ol-2-ylidene)(eta5-pentamethylcyclopentadienyl)rhodium(III) with HEWL | | Descriptor: | 2-(1-chloranyl-2,3,4,5,6-pentamethyl-1$l^{7}-rhodapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexan-1-yl)-1,3-dimethyl-benzimidazole, Lysozyme, SODIUM ION, ... | | Authors: | Sullivan, M.P, Hartinger, C.G, Goldstone, D.C. | | Deposit date: | 2019-06-30 | | Release date: | 2020-11-25 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Probing the Paradigm of Promiscuity for N-Heterocyclic Carbene Complexes and their Protein Adduct Formation.
Angew.Chem.Int.Ed.Engl., 2021
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3AZX
 | | Crystal structure of the laminarinase catalytic domain from Thermotoga maritima MSB8 | | Descriptor: | CALCIUM ION, Laminarinase | | Authors: | Jeng, W.Y, Wang, N.C, Wang, A.H.J. | | Deposit date: | 2011-06-03 | | Release date: | 2011-11-23 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structures of the laminarinase catalytic domain from Thermotoga maritima MSB8 in complex with inhibitors: essential residues for beta-1,3 and beta-1,4 glucan selection.
J.Biol.Chem., 286, 2011
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9HI3
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3VAI
 | | Structure of U2AF65 variant with BrU3C5 DNA | | Descriptor: | 1,4-DIETHYLENE DIOXIDE, DNA 5'-D(*UP*UP*(BRU)P*UP*CP*UP*U)-3', GLYCEROL, ... | | Authors: | Jenkins, J.L, Frato, K.H, Kielkopf, C.L. | | Deposit date: | 2011-12-29 | | Release date: | 2013-02-13 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | U2AF65 adapts to diverse pre-mRNA splice sites through conformational selection of specific and promiscuous RNA recognition motifs.
Nucleic Acids Res., 41, 2013
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8POT
 | | Ternary complex of E. coli leucyl-tRNA synthetase, tRNA(leu) and the benzoxaborole cmpd9 in the editing conformation | | Descriptor: | 1,2-ETHANEDIOL, Leucine--tRNA ligase, [(1R,3'S,5S,6R,8R)-3'-(aminomethyl)-8-(6-aminopurin-9-yl)-4'-bromanyl-7'-[3-[methyl-(phenylmethyl)amino]propoxy]spiro[2,4,7-trioxa-3$l^{4}-borabicyclo[3.3.0]octane-3,1'-3H-2,1$l^{4}-benzoxaborole]-6-yl]methyl dihydrogen phosphate, ... | | Authors: | Palencia, A, Hoffmann, G. | | Deposit date: | 2023-07-05 | | Release date: | 2024-06-12 | | Last modified: | 2024-07-24 | | Method: | X-RAY DIFFRACTION (2.149 Å) | | Cite: | Targeting a microbiota Wolbachian aminoacyl-tRNA synthetase to block its pathogenic host.
Sci Adv, 10, 2024
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9H5E
 | | NNMT-SAH IN COMPLEX WITH 1p | | Descriptor: | 6-methoxy-1-methyl-pyridine-3-carboxamide, Nicotinamide N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE | | Authors: | Johansson, P. | | Deposit date: | 2024-10-22 | | Release date: | 2025-05-21 | | Method: | X-RAY DIFFRACTION (1.896 Å) | | Cite: | Mechanism and kinetics of turnover inhibitors of nicotinamide N-methyl transferase in vitro and in vivo.
J.Biol.Chem., 301, 2025
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2F1B
 | | GOLGI ALPHA-MANNOSIDASE II COMPLEX WITH (2R,3R,4S,5R)-2-({[(1R)-2-hydroxy-1-phenylethyl]amino}methyl)-5-methylpyrrolidine-3,4-diol | | Descriptor: | (2R,3R,4S,5R)-2-({[(1R)-2-HYDROXY-1-PHENYLETHYL]AMINO}METHYL)-5-METHYLPYRROLIDINE-3,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Kuntz, D.A, Rose, D.R. | | Deposit date: | 2005-11-14 | | Release date: | 2006-12-05 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Evaluation of docking programs for predicting binding of Golgi alpha-mannosidase II inhibitors: a comparison with crystallography.
Proteins, 69, 2007
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3VIE
 | | HIV-gp41 fusion inhibitor Sifuvirtide | | Descriptor: | Envelope glycoprotein gp160, Sifuvirtide | | Authors: | Yao, X, Waltersperger, S, Wang, M.T, Cui, S. | | Deposit date: | 2011-09-29 | | Release date: | 2012-01-18 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Broad antiviral activity and crystal structure of HIV-1 fusion inhibitor sifuvirtide
J.Biol.Chem., 287, 2012
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8XKD
 | | beta-1,4-galacosyltransferase | | Descriptor: | DI(HYDROXYETHYL)ETHER, Glycosyltransferase family 25 protein, TRIETHYLENE GLYCOL, ... | | Authors: | Luo, G, Huang, Z, Chen, J, Hou, X, Zhu, Y, Ni, D, Xu, W, Zhang, W, Rao, Y, Mu, W. | | Deposit date: | 2023-12-23 | | Release date: | 2024-12-11 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Crystal structure and structure-guided tunnel engineering in a bacterial beta-1,4-galactosyltransferase.
Int.J.Biol.Macromol., 279, 2024
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3VP9
 | | Crystal structure of the N-terminal domain of the yeast general corepressor Tup1p mutant | | Descriptor: | 1,4-DIETHYLENE DIOXIDE, General transcriptional corepressor TUP1 | | Authors: | Matsumura, H, Kusaka, N, Nakamura, T, Tanaka, N, Sagegami, K, Uegaki, K, Inoue, T, Mukai, Y. | | Deposit date: | 2012-02-28 | | Release date: | 2012-06-13 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.799 Å) | | Cite: | Crystal structure of the N-terminal domain of the yeast general corepressor Tup1p and its functional implications
J.Biol.Chem., 287, 2012
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